ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]nipecotic acid ethyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCCC(C3)C(=O)OCC)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCCC(C3)C(=O)OCC)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H32N2O5/c1-3-18-7-5-9-21-23(15-29-27(18)21)22(19-10-11-24-25(13-19)35-17-34-24)14-26(31)30-12-6-8-20(16-30)28(32)33-4-2/h5,7,9-11,13,15,20,22,29H,3-4,6,8,12,14,16-17H2,1-2H3